[4-[[2-chloranylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-chloranylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-chloropropanoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(2-chloro-1-oxopropyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-chloropropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-chloropropanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H19ClFNO5S MolecularWeight: 451.895663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3)Cl

Isomeric SMILES

CC(C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3)Cl

InChI

InChI=1S/C21H19ClFNO5S/c1-15(22)21(25)24(14-19-3-2-12-28-19)13-16-4-8-18(9-5-16)29-30(26,27)20-10-6-17(23)7-11-20/h2-12,15H,13-14H2,1H3